1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene

C18H25ClO — CID 66345937

IUPAC1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
SMILESCCC1(CC)C(Cl)CC1OC1CCCc2ccccc21
InChIInChI=1S/C18H25ClO/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15-17H,3-4,7,9,11-12H2,1-2H3
InChIKeyCOGJOYCKQOPNBZ-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.27
Rot. Bonds4

About 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene

1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 66345937) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
PubChem CID66345937
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
SMILESCCC1(CC)C(Cl)CC1OC1CCCc2ccccc21
InChIInChI=1S/C18H25ClO/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15-17H,3-4,7,9,11-12H2,1-2H3
InChIKeyCOGJOYCKQOPNBZ-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
CID 66366089
N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357591
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)spiro[3.4]octan-1-ol
CID 66366088
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
2-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 104674500
1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene (CID 66345937) is 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene is CCC1(CC)C(Cl)CC1OC1CCCc2ccccc21.
What is the InChIKey of 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is COGJOYCKQOPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15-17H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene?
1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.85 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 66345937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).